methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;hydrochloride

C8H12ClN3O2 — CID 169171779

IUPACmethyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;hydrochloride
SMILESCOC(=O)C1NCc2nn(C)cc21.Cl
InChIInChI=1S/C8H11N3O2.ClH/c1-11-4-5-6(10-11)3-9-7(5)8(12)13-2;/h4,7,9H,3H2,1-2H3;1H
InChIKeyBRCUZTALOFDVOC-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.16
Rot. Bonds1

About methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;hydrochloride

methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;hydrochloride (PubChem CID 169171779) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;hydrochloride
PubChem CID169171779
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Namemethyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;hydrochloride
SMILESCOC(=O)C1NCc2nn(C)cc21.Cl
InChIInChI=1S/C8H11N3O2.ClH/c1-11-4-5-6(10-11)3-9-7(5)8(12)13-2;/h4,7,9H,3H2,1-2H3;1H
InChIKeyBRCUZTALOFDVOC-UHFFFAOYSA-N
XLogP0.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;hydrochloride?
The IUPAC name of methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;hydrochloride (CID 169171779) is methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;hydrochloride is COC(=O)C1NCc2nn(C)cc21.Cl.
What is the InChIKey of methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;hydrochloride?
The InChIKey is BRCUZTALOFDVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.ClH/c1-11-4-5-6(10-11)3-9-7(5)8(12)13-2;/h4,7,9H,3H2,1-2H3;1H.
What are the key properties of methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;hydrochloride?
methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 169171779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).